N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-1-[4-(2-pyrimidyl)piperazino]isoquinoline-4-carboxamide Formula: C26H25ClN6O3 MolecularWeight: 504.9681

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=CC=N5)Cl)OC

InChI

InChI=1S/C26H25ClN6O3/c1-35-22-15-23(36-2)21(14-20(22)27)31-25(34)19-16-30-24(18-7-4-3-6-17(18)19)32-10-12-33(13-11-32)26-28-8-5-9-29-26/h3-9,14-16H,10-13H2,1-2H3,(H,31,34)